First principles investigation of the structural, elastic, electronic and vibrational properties of vanadium-based V3X (X = Fe, Co, and Ni) compounds
Yazarlar (4)
S. Akbudak
Adiyaman Üniversitesi, Türkiye
Adiyaman Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
A. K. Kushwaha
K.N. Govt. P.G. College, Hindistan
K.N. Govt. P.G. College, Hindistan
Prof. Dr. Mustafa ÖZDURAN Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Physics and Chemistry of Solids (Q1) | ||
| Dergi ISSN | 0022-3697 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2021 |
| Cilt / Sayı / Sayfa | 150 / 1 / – | DOI | 10.1016/j.jpcs.2020.109854 |
| Makale Linki | http://dx.doi.org/10.1016/j.jpcs.2020.109854 | ||
| Özet |
| The structural, elastic and related properties, electronic properties, thermodynamic, and vibrational properties of the V 3 X (X= Fe, Co, Ni) intermetallic compounds using the plane wave method within the density functional theory are studied and results are discussed in detail. There is a good agreement between the calculated lattice constants, formation enthalpies and available experimental and theoretical data. The band structure calculations predict that these compounds in the A15 phase show metallic features. Moreover, the studied compounds are highly anisotropic and ductile in nature. According to the calculated values of formation enthalpy, VX and VV bond lengths, electronic density of states at the Fermi level, and melting temperature, V 3 Co compound is more stable than other compounds. The elastic constants of these compounds and their related quantities such as bulk modulus (B), shear modulus (G … |
| Anahtar Kelimeler |
| Intermetallic compounds, A15 phase, Structural properties, Electronic band structure, Elastic anisotropy, Phonon dispersion relations |
Science Direct
First principles investigation of the structural, elastic, electronic and vibrational properties of vanadium-based V3X (X = Fe, Co, and Ni) compounds
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 4 |
| Google Scholar | 4 |